SCHEMBL15631237

SCHEMBL15631237

CC(C)=NOCc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.51
RXRB P28702 9/20 0.51
RXRG P48443 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
NR4A2 P43354 4/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30139917 0.81 ALDH1A1 (0.53) RXRARXRBRXRGNPC1RAB9A
SCHEMBL15631232 0.80 RAB9A (0.69) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL678711 0.79 MAPT (0.57) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL15632431 0.78 ALDH1A1 (0.50) RXRARXRBRXRGNPC1RAB9A
SCHEMBL15081032 0.77 L3MBTL1 (0.41) RXRARXRBNPC1RAB9AALDH1A1
SCHEMBL2755830 0.77 L3MBTL1 (0.50) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL12142769 0.77 SLC7A5 (0.60) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL12142657 0.77 SLC7A5 (0.60) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL100476 0.76 ALDH1A1 (0.68) RXRARXRBRXRGNPC1RAB9A
SCHEMBL16202052 0.76 SMN1; SMN2 (0.47) NPC1RAB9AALDH1A1POLBSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-9527866-B2 Processes for production of intermediates for 2-alkyl cephem compounds SHIONOGI & CO., LTD. (JP) 2016-12-27 US disclosed
US-9334289-B2 Cephem compound having catechol or pseudo-catechol structure SHIONOGI & CO., LTD. (JP) 2016-05-10 US disclosed
US-9242999-B2 Cephem compound having pyridinium group SHIONOGI & CO., LTD. (JP) 2016-01-26 US disclosed
US-20150344502-A1 CEPHEM COMPOUND SHIONOGI & CO., LTD. (JP) 2015-12-03 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
US-20150291619-A1 PROCESSES FOR PRODUCTION OF INTERMEDIATES FOR 2-ALKYL CEPHEM COMPOUNDS SHIONOGI & CO., LTD. (JP) 2015-10-15 US disclosed
US-20140114060-A1 CEPHEM COMPOUND HAVING PYRIDINIUM GROUP SHIONOGI & CO., LTD. (JP) 2014-04-24 US disclosed
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE SHIONOGI & CO., LTD. (JP) 2014-03-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE COMT, CMBL, CEP170 RXRA 4877/4885RXRB 4860/4885RXRG 4862/4885
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL RXRA 4848/4885RXRB 4852/4885RXRG 4823/4885
US-20140114060-A1 CEPHEM COMPOUND HAVING PYRIDINIUM GROUP CEP170, PEPD, CMBL RXRA 4814/4885RXRB 4723/4885RXRG 4769/4885
US-20150291619-A1 PROCESSES FOR PRODUCTION OF INTERMEDIATES FOR 2-ALKYL CEPHEM COMPOUNDS SQOR, DHPS, NISCH RXRA 4677/4885RXRB 4679/4885RXRG 4736/4885
US-20150344502-A1 CEPHEM COMPOUND PRMT6, CEP170, NR0B1 RXRA 1812/4885RXRB 1414/4885RXRG 2177/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 RXRA 4879/4885RXRB 4881/4885RXRG 4875/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.